A0062103 Screening compound: 4-(dimethylsulfamoyl)-N-{[5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide

A0062103 Screening compound: 4-(dimethylsulfamoyl)-N-{[5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
A0062103 Screening compound: 4-(dimethylsulfamoyl)-N-{[5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0062103
4-(dimethylsulfamoyl)-N-{[5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

A0062103

Molecular Formula

C24H26N8O4S3 (C24 H26 N8 O4 S3)

Compound Name

4-(dimethylsulfamoyl)-N-{[5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide

IUPAC name

4-(dimethylsulfamoyl)-N-{[5-({[(5-methyl-134-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-(3-methylphenyl)-4H-124-triazol-3-yl]methyl}benzamide

SMILES

Cc1nnc(NC(CSc2nnc(CNC(c(cc3)ccc3S(N(C)C)(=O)=O)=O)n2-c2cc(C)ccc2)=O)s1

InChI

InChI=1S/C24H26N8O4S3/c1-15-6-5-7-18(12-15)32-20(28-30-24(32)37-14-21(33)26-23-29-27-16(2)38-23)13-25-22(34)17-8-10-19(11-9-17)39(35,36)31(3)4/h5-12H,13-14H2,1-4H3,(H,25,34)(H,26,29,33)

InChI Key

JTYOIMXMRZILFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02088058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

586.72

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.226

Distribution Coefficient, logD

2.186

Water Solubility, LogSw

-2.81

Polar Surface Area

130.538

Acid Dissociation Constant (pKa)

8.41

Base Dissociation Constant (pKb)

0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with A0062103 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0062103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0062103
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of A0062103 available by request